Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Phenyl Ethanol SCHEMBL27374000 | 0.84 | ALDH1A1 (0.58) | NR1I2LMNAALDH1A1KDM4EKMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL28355288 | 0.83 | LMNA (0.42) | LMNAALDH1A1KDM4EKMT2AGMNN | |
| Trifluoromethanesulfonic Acid SCHEMBL27525495 | 0.81 | NR1I2 (0.49) | NR1I2LMNAALDH1A1KDM4EKMT2A | |
| Phenyl Ethanol SCHEMBL4727673 | 0.80 | PTPN5 (0.46) | NR1I2LMNAKDM4EKMT2AHPGD | |
| Phenyl Ethanol SCHEMBL27983937 | 0.79 | LMNA (0.52) | LMNAALDH1A1KDM4EKMT2AADRA2A | |
| Trifluoromethanesulfonic Acid SCHEMBL1593380 | 0.78 | SRC (0.42) | LMNAALDH1A1KDM4EKMT2AGMNN | |
| Phenyl Ethanol SCHEMBL2164 | 0.78 | — | — | |
| Phenyl Ethanol SCHEMBL2165 | 0.78 | — | — | |
| Phenyl Ethanol SCHEMBL8075664 | 0.78 | LMNA (0.56) | LMNAALDH1A1KDM4EKMT2AADRA2A | |
| Phenyl Ethanol SCHEMBL32685157 | 0.78 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111378147-B | Chiral MOF material and preparation method and application thereof | 西北师范大学 | 2021-09-28 | — | — | CN | disclosed |
| CN-111378147-A | Novel chiral MOF material and preparation method and application thereof | 西北师范大学 | 2020-07-07 | — | — | CN | disclosed |